2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide

C12H14Br2FNO — CID 107591742

IUPAC2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide
SMILESCc1cc(F)c(Br)cc1NC(=O)C(Br)C(C)C
InChIInChI=1S/C12H14Br2FNO/c1-6(2)11(14)12(17)16-10-5-8(13)9(15)4-7(10)3/h4-6,11H,1-3H3,(H,16,17)
InChIKeyKBJCODXGEXVUBA-UHFFFAOYSA-N
MW367.06 g/mol
LogP4.25
Rot. Bonds3

About 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide

2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide (PubChem CID 107591742) has the molecular formula C12H14Br2FNO and a molecular weight of 367.06 g/mol. Its IUPAC name is 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide
PubChem CID107591742
Molecular FormulaC12H14Br2FNO
Molecular Weight367.06 g/mol
Exact Mass364.94
IUPAC Name2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide
SMILESCc1cc(F)c(Br)cc1NC(=O)C(Br)C(C)C
InChIInChI=1S/C12H14Br2FNO/c1-6(2)11(14)12(17)16-10-5-8(13)9(15)4-7(10)3/h4-6,11H,1-3H3,(H,16,17)
InChIKeyKBJCODXGEXVUBA-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.06
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592265
(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592355
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 103280876
N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide
CID 107592531
(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide
CID 107592317
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 106312877
3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea
CID 103269164
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
2-bromo-N-(2,5-dimethylphenyl)-3-methylbutanamide
CID 24710246
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea
CID 103274772
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide?
The IUPAC name of 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide (CID 107591742) is 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide is Cc1cc(F)c(Br)cc1NC(=O)C(Br)C(C)C.
What is the InChIKey of 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide?
The InChIKey is KBJCODXGEXVUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2FNO/c1-6(2)11(14)12(17)16-10-5-8(13)9(15)4-7(10)3/h4-6,11H,1-3H3,(H,16,17).
What are the key properties of 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide?
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide has a molecular weight of 367.06 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 107591742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).